N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propyl-adamantane-1-carboxamide

Systemtic Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propyl-adamantane-1-carboxamide Openeye Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propyl-adamantane-1-carboxamide CAS Name: N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-N-propyl-1-adamantanecarboxamide IUPAC Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propyladamantane-1-carboxamide Traditional Name: N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-N-propyl-adamantane-1-carboxamide Formula: C26H33ClN2O MolecularWeight: 425.00602

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H33ClN2O/c1-2-8-29(25(30)26-14-20-10-21(15-26)12-22(11-20)16-26)18-24-7-4-9-28(24)17-19-5-3-6-23(27)13-19/h3-7,9,13,20-22H,2,8,10-12,14-18H2,1H3